3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine

C16H16N6 — CID 162747198

IUPAC3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
SMILESc1ccc(CCc2nnc(CCc3ccccn3)nn2)nc1
InChIInChI=1S/C16H16N6/c1-3-11-17-13(5-1)7-9-15-19-21-16(22-20-15)10-8-14-6-2-4-12-18-14/h1-6,11-12H,7-10H2
InChIKeyXDUYOAOLZUDBPY-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.63
Rot. Bonds6

About 3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine

3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine (PubChem CID 162747198) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
PubChem CID162747198
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
SMILESc1ccc(CCc2nnc(CCc3ccccn3)nn2)nc1
InChIInChI=1S/C16H16N6/c1-3-11-17-13(5-1)7-9-15-19-21-16(22-20-15)10-8-14-6-2-4-12-18-14/h1-6,11-12H,7-10H2
InChIKeyXDUYOAOLZUDBPY-UHFFFAOYSA-N
XLogP1.63
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-(2-fluoroethyl)pyridine
CID 23246235
dimethyl(2-pyridin-2-ylethyl)indigane
CID 19877468
4-pyridin-2-ylbutylphosphane
CID 175102115
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
trimethoxy(2-pyridin-2-ylethyl)silane
CID 158126739
2-(7-phenylheptyl)pyridine
CID 54510986
2-undecylpyridine
CID 66882765
2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
CID 175722818
N-methyl-2-pyridin-2-ylethanamine;hydroiodide
CID 135260552
9-pyridin-2-ylnonan-1-ol
CID 12680899
2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine
CID 112718307

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine?
The IUPAC name of 3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine (CID 162747198) is 3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine?
The canonical SMILES for 3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine is c1ccc(CCc2nnc(CCc3ccccn3)nn2)nc1.
What is the InChIKey of 3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine?
The InChIKey is XDUYOAOLZUDBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-3-11-17-13(5-1)7-9-15-19-21-16(22-20-15)10-8-14-6-2-4-12-18-14/h1-6,11-12H,7-10H2.
What are the key properties of 3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine?
3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine has a molecular weight of 292.35 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine is sourced from PubChem (CID 162747198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).